Molecule

ID:28844

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-4-21-18-11-7-17(8-12-18)20-13-16-5-9-19(10-6-16)22-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKey
XLWPPFVJXUAPQN-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NCc1ccc(cc1)OCC(C)C
Isomeric Smiles
N(c1ccc(cc1)OCC)Cc1ccc(OCC(C)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.349581
LogD (pH = 7.4)
4.454745
Log P
4.4562654
Molar Refractivity
92.2836
Polarizability
35.324223
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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